HRID1200391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

HCID123351

Perchlorate

ClO4-

HCID3838283

N-(2,3-Dihydro-6-methoxy-3-oxo-1H-inden-1-yl)-2,2,2-trifluoroacetamide

C12H10F3NO3

HCID4571240

未命名化合物

HCID178458607

未命名化合物

PRODUCTS

生成物

结构：C=CCOC1CC(NCC(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)c2cc(OC(C)C)ccc21

HCID178458692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7844fc5eaea646f7a4aec9c3a9d400a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43]([NH:44][CH:45]([CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]1[O:54][CH2:55]1)=[O:56].[CH2:20]([CH:21]=[CH2:22])[O:23][CH:24]1[CH2:25][CH:26]([NH2:37])[c:27]2[cH:28][c:29]([O:33][CH:34]([CH3:35])[CH3:36])[cH:30][cH:31][c:32]21.[CH3:63][C:64]#[N:65].[Cl+3:57]([O-:58])([O-:59])([O-:60])[O-:61].[F:1][C:2]([F:3])([F:4])[C:5]([NH:6][CH:7]1[c:8]2[c:9]([cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15]2)[C:16](=[O:17])[CH2:18]1)=[O:19].[Li+:62]>>[CH2:20]([CH:21]=[CH2:22])[O:23][CH:24]1[CH2:25][CH:26]([NH:37][CH2:55][CH:53]([CH:45]([NH:44][C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:56])[CH2:46][c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[OH:54])[c:27]2[cH:28][c:29]([O:33][CH:34]([CH3:35])[CH3:36])[cH:30][cH:31][c:32]21